Crystallography Open Database

Information card for entry 4332300

Preview

Coordinates	4332300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H36 Mn Mo2 N3 O6 S6
Calculated formula	C23 H36 Mn Mo2 N3 O6 S6
Title of publication	Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+
Authors of publication	Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	10
Pages of publication	4284 - 4302
a	15.3815 ± 0.0008 Å
b	18.2475 ± 0.0009 Å
c	23.9239 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6714.8 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179426 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/23.	4332300.cif
98217	2014-01-29	cif/ Adding structures of 4332300 via cif-deposit CGI script.	4332300.cif